[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl]-methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [2-(4-chloroanilino)-2-keto-ethyl]-methyl-(4-nitrobenzyl)ammonium Formula: C16H17ClN3O3+ MolecularWeight: 334.77748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H16ClN3O3/c1-19(10-12-2-8-15(9-3-12)20(22)23)11-16(21)18-14-6-4-13(17)5-7-14/h2-9H,10-11H2,1H3,(H,18,21)/p+1